N-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide

C20H23N5O3 — CID 71863098

IUPACN-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(NC(=O)C2CC(=O)N(c3cn[nH]c3)C2)cc1
InChIInChI=1S/C20H23N5O3/c26-18-9-14(12-25(18)17-10-21-22-11-17)20(28)24-16-7-5-13(6-8-16)19(27)23-15-3-1-2-4-15/h5-8,10-11,14-15H,1-4,9,12H2,(H,21,22)(H,23,27)(H,24,28)
InChIKeyLAOMOBGOUYILKY-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.07
Rot. Bonds5

About N-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide

N-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 71863098) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID71863098
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(NC(=O)C2CC(=O)N(c3cn[nH]c3)C2)cc1
InChIInChI=1S/C20H23N5O3/c26-18-9-14(12-25(18)17-10-21-22-11-17)20(28)24-16-7-5-13(6-8-16)19(27)23-15-3-1-2-4-15/h5-8,10-11,14-15H,1-4,9,12H2,(H,21,22)(H,23,27)(H,24,28)
InChIKeyLAOMOBGOUYILKY-UHFFFAOYSA-N
XLogP2.07
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22831152
(3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40965785
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 992776
N-[4-(cyclopentylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119713611
N-cyclohexyl-1H-pyrazole-4-carboxamide
CID 43532859
1-cyclopropyl-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 43429776
N-cycloheptyl-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50844777
N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982521
N-[3-(cyclopropylcarbamoyl)phenyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46569296
methyl 4-[4-[(4-acetylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189487
N-[4-(benzhydrylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153792

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide (CID 71863098) is N-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide is O=C(NC1CCCC1)c1ccc(NC(=O)C2CC(=O)N(c3cn[nH]c3)C2)cc1.
What is the InChIKey of N-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is LAOMOBGOUYILKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c26-18-9-14(12-25(18)17-10-21-22-11-17)20(28)24-16-7-5-13(6-8-16)19(27)23-15-3-1-2-4-15/h5-8,10-11,14-15H,1-4,9,12H2,(H,21,22)(H,23,27)(H,24,28).
What are the key properties of N-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
N-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71863098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).